3-Nitrophenyl isothiocyanate
3-Nitrophenyl isothiocyanate (CAS 3529-82-6), with the molecular formula O2NC6H4NCS and a molecular weight of 180.18 g/mol, is a valuable organic building block. It serves as a key intermediate in chemical synthesis, particularly for introducing the nitrophenyl isothiocyanate moiety into more complex molecules. This compound is widely utilised in the development of novel chemical entities within research and development settings.

Chemical Synthesis Intermediate
3-Nitrophenyl isothiocyanate is a versatile reagent used in organic synthesis to create new chemical structures. Its isothiocyanate group readily reacts with nucleophiles, making it useful for derivatization and the formation of various heterocyclic compounds.
Research and Development
This compound finds application in academic and industrial research laboratories for exploring new synthetic pathways and developing novel materials. It is a useful building block for medicinal chemistry and materials science projects.
Organic Building Block
As an organic building block, 3-Nitrophenyl isothiocyanate allows chemists to incorporate a specific functional group into target molecules. It is particularly useful for constructing thiourea derivatives and related structures.
| Molecular weight | 180.18 |
|---|---|
| Linear formula | O2NC6H4NCS |
| Assay | 98% |
| Storage temperature | 2-8°C |
| Melting point | 57-60 °C(lit.) |

Hazard statements
- H314Causes severe skin burns and eye damage
Precautionary statements
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |
|---|---|
| Transport (UN / ADR) | UN 3261 8 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 23-26-36/37/39-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 3-Nitrophenyl isothiocyanate primarily used for?
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3-Nitrophenyl isothiocyanate is primarily used as a chemical synthesis intermediate and an organic building block in research and development settings for creating new chemical entities and exploring synthetic pathways.
What are the CAS number and molecular formula for 3-Nitrophenyl isothiocyanate?
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The CAS number for 3-Nitrophenyl isothiocyanate is 3529-82-6, and its molecular formula is O2NC6H4NCS.
What grade and purity does Tech Serve Solutions supply for 3-Nitrophenyl isothiocyanate?
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Tech Serve Solutions supplies 3-Nitrophenyl isothiocyanate with an assay of 98%. We do not represent this product as USP, BP, or EP grade.
How should 3-Nitrophenyl isothiocyanate be handled safely?
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3-Nitrophenyl isothiocyanate is classified as Danger (GHS05) with hazard statement H314 (Causes severe skin burns and eye damage). Appropriate personal protective equipment, including eyeshields, face shields, gloves, and respiratory protection (type N100 or P3), must be used. Handle in a well-ventilated area or fume hood.
How is 3-Nitrophenyl isothiocyanate packed and shipped?
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3-Nitrophenyl isothiocyanate is shipped according to UN 3261, Class 8, Packing Group III regulations. For optimal stability, it should be stored at 2-8°C. Please contact us for specific export and shipping inquiries.
How can I request a quote or sample for 3-Nitrophenyl isothiocyanate?
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To request a quote or a sample of 3-Nitrophenyl isothiocyanate, please contact our sales department through the website or by phone. We are happy to assist with your chemical sourcing needs.
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